N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C21H21N5O2 — CID 29445090

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCCCc2nc3ccccc3[nH]2)c(=O)c2ccccc12
InChIInChI=1S/C21H21N5O2/c1-14-15-7-2-3-8-16(15)21(28)26(25-14)13-20(27)22-12-6-11-19-23-17-9-4-5-10-18(17)24-19/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyBGMQXQYQQQJYTE-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.33
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 29445090) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID29445090
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCCCc2nc3ccccc3[nH]2)c(=O)c2ccccc12
InChIInChI=1S/C21H21N5O2/c1-14-15-7-2-3-8-16(15)21(28)26(25-14)13-20(27)22-12-6-11-19-23-17-9-4-5-10-18(17)24-19/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyBGMQXQYQQQJYTE-UHFFFAOYSA-N
XLogP2.33
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
CID 95807054
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55909912
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[2-(3-chlorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51322526

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 29445090) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NCCCc2nc3ccccc3[nH]2)c(=O)c2ccccc12.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is BGMQXQYQQQJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-15-7-2-3-8-16(15)21(28)26(25-14)13-20(27)22-12-6-11-19-23-17-9-4-5-10-18(17)24-19/h2-5,7-10H,6,11-13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 29445090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).